| SpectraBase Compound ID | AbqzL6gQrJW |
|---|---|
| InChI | InChI=1S/C20H13ClO4/c21-14-7-6-10-16(13-14)25-20(23)18-12-5-4-11-17(18)19(22)24-15-8-2-1-3-9-15/h1-13H |
| InChIKey | RSZVOFLKDMIJCF-UHFFFAOYSA-N |
| Mol Weight | 352.77 g/mol |
| Molecular Formula | C20H13ClO4 |
| Exact Mass | 352.050237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lq28pW7wECr |
|---|---|
| Name | Phthalic acid, 3-chlorophenyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.050236595 u |
| Formula | C20H13ClO4 |
| InChI | InChI=1S/C20H13ClO4/c21-14-7-6-10-16(13-14)25-20(23)18-12-5-4-11-17(18)19(22)24-15-8-2-1-3-9-15/h1-13H |
| InChIKey | RSZVOFLKDMIJCF-UHFFFAOYSA-N |
| Molecular Weight | 352.773 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OC1=CC=CC=C1)=O)C(OC1=CC=CC(=C1)Cl)=O |